N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide

C18H18N4O3 — CID 166227041

IUPACN'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1
InChIInChI=1S/C18H18N4O3/c1-20-17(23)3-2-4-18(24)22-13-5-7-15(8-6-13)25-16-9-10-21-14(11-16)12-19/h5-11H,2-4H2,1H3,(H,20,23)(H,22,24)
InChIKeyBQOMFZZHKXZRNT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.60
Rot. Bonds7

About N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide

N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide (PubChem CID 166227041) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide.

Molecular Properties

Compound NameN'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
PubChem CID166227041
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1
InChIInChI=1S/C18H18N4O3/c1-20-17(23)3-2-4-18(24)22-13-5-7-15(8-6-13)25-16-9-10-21-14(11-16)12-19/h5-11H,2-4H2,1H3,(H,20,23)(H,22,24)
InChIKeyBQOMFZZHKXZRNT-UHFFFAOYSA-N
XLogP2.60
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
N-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154861633
3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
CID 58674563
N-[4-[4-(methylamino)phenoxy]phenyl]-6-oxoheptanamide
CID 166048003
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 10092959
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
N-[3-bromo-5-(trifluoromethyl)phenyl]-3-[3-[(2-cyano-4-pyridinyl)oxy]phenyl]propanamide
CID 58674568
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide?
The IUPAC name of N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide (CID 166227041) is N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide.
What is the SMILES notation for N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide?
The canonical SMILES for N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide is CNC(=O)CCCC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1.
What is the InChIKey of N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide?
The InChIKey is BQOMFZZHKXZRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-20-17(23)3-2-4-18(24)22-13-5-7-15(8-6-13)25-16-9-10-21-14(11-16)12-19/h5-11H,2-4H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide?
N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide has a molecular weight of 338.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-N-methylpentanediamide is sourced from PubChem (CID 166227041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).